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12

138

mit

7

[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback

molgen pytorch selfies iclr2024 molecule multitask generation huggingface pre-training language-model pre-trained-model molecular-generation molecular-optimization pre-trained-language-models targeted-molecular-generation

Created 2023-01-04

81 commits to main branch, last one 4 days ago

1

53

mit

3

Lo-Hi Splitter for Modern Splits of Molecular Datasets

drug drug-design drug-discovery virtual-screening molecular-generation

Created 2023-09-24

10 commits to main branch, last one 2 months ago

8

51

gpl-3.0

3

Molecular Generation by Fast Assembly of SMILES Fragments

cadd smiles deepsmiles molecular-fragments molecular-generation distribution-matching

Created 2021-07-08

197 commits to main branch, last one about a month ago